REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3lph_1_D DATA FIRST_RESID 8 DATA SEQUENCE SDEDSLKAVR LIKFLYQSNP PPNPEGTRQA RRNRRRRWRE RQRQIHSISE DATA SEQUENCE RIRSTYL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.603 174.600 0.004 0.000 1.055 8 S CA 0.000 58.202 58.200 0.003 0.000 1.107 8 S CB 0.000 63.202 63.200 0.004 0.000 0.593 9 D N 2.425 122.828 120.400 0.004 0.000 2.312 9 D HA 0.078 4.718 4.640 0.000 0.000 0.211 9 D C 1.802 178.105 176.300 0.005 0.000 0.964 9 D CA 1.583 55.586 54.000 0.005 0.000 0.877 9 D CB 0.286 41.088 40.800 0.004 0.000 0.924 9 D HN 0.721 nan 8.370 nan 0.000 0.515 10 E N 0.318 120.520 120.200 0.004 0.000 2.244 10 E HA -0.026 4.325 4.350 0.000 0.000 0.196 10 E C 1.673 178.275 176.600 0.003 0.000 0.939 10 E CA 0.432 56.834 56.400 0.003 0.000 0.884 10 E CB -0.463 29.238 29.700 0.001 0.000 0.850 10 E HN 0.114 nan 8.360 nan 0.000 0.481 11 D N 0.952 121.354 120.400 0.003 0.000 2.123 11 D HA -0.113 4.527 4.640 0.000 0.000 0.196 11 D C 2.109 178.413 176.300 0.007 0.000 0.992 11 D CA 1.792 55.794 54.000 0.003 0.000 0.833 11 D CB -0.345 40.456 40.800 0.003 0.000 0.954 11 D HN 0.354 nan 8.370 nan 0.000 0.455 12 S N 0.191 115.897 115.700 0.009 0.000 2.406 12 S HA -0.064 4.406 4.470 0.000 0.000 0.228 12 S C 1.773 176.383 174.600 0.016 0.000 1.020 12 S CA 0.089 58.297 58.200 0.013 0.000 0.965 12 S CB -0.042 63.166 63.200 0.013 0.000 0.798 12 S HN 0.112 nan 8.310 nan 0.000 0.488 13 L N 2.065 123.296 121.223 0.013 0.000 2.109 13 L HA 0.114 4.454 4.340 0.000 0.000 0.207 13 L C 2.129 179.009 176.870 0.016 0.000 1.086 13 L CA 1.716 56.566 54.840 0.015 0.000 0.760 13 L CB -0.536 41.530 42.059 0.011 0.000 0.910 13 L HN 0.120 nan 8.230 nan 0.000 0.437 14 K N -0.851 119.555 120.400 0.010 0.000 2.057 14 K HA -0.142 4.179 4.320 0.000 0.000 0.206 14 K C 2.010 178.619 176.600 0.015 0.000 1.050 14 K CA 1.182 57.472 56.287 0.006 0.000 0.935 14 K CB -0.140 32.359 32.500 -0.003 0.000 0.715 14 K HN 0.377 nan 8.250 nan 0.000 0.439 15 A N 0.810 123.640 122.820 0.018 0.000 1.892 15 A HA -0.161 4.159 4.320 0.000 0.000 0.218 15 A C 2.256 179.867 177.584 0.045 0.000 1.188 15 A CA 1.911 53.964 52.037 0.027 0.000 0.631 15 A CB -0.866 18.149 19.000 0.025 0.000 0.822 15 A HN 0.178 nan 8.150 nan 0.000 0.447 16 V N 0.051 119.992 119.914 0.046 0.000 2.255 16 V HA -0.322 3.798 4.120 0.000 0.000 0.247 16 V C 2.645 178.785 176.094 0.076 0.000 1.051 16 V CA 2.386 64.723 62.300 0.060 0.000 1.018 16 V CB -0.864 30.986 31.823 0.046 0.000 0.641 16 V HN 0.549 nan 8.190 nan 0.000 0.445 17 R N -0.462 120.075 120.500 0.062 0.000 2.119 17 R HA -0.193 4.147 4.340 0.000 0.000 0.246 17 R C 2.227 178.594 176.300 0.112 0.000 1.146 17 R CA 1.684 57.828 56.100 0.075 0.000 0.962 17 R CB -0.494 29.830 30.300 0.041 0.000 0.863 17 R HN 0.445 nan 8.270 nan 0.000 0.442 18 L N 0.062 121.335 121.223 0.084 0.000 2.179 18 L HA -0.114 4.226 4.340 0.000 0.000 0.208 18 L C 2.217 179.181 176.870 0.156 0.000 1.096 18 L CA 0.432 55.332 54.840 0.100 0.000 0.779 18 L CB -0.243 41.837 42.059 0.034 0.000 0.922 18 L HN 0.139 nan 8.230 nan 0.000 0.443 19 I N 0.308 120.959 120.570 0.135 0.000 2.252 19 I HA -0.264 3.906 4.170 0.000 0.000 0.245 19 I C 2.514 178.783 176.117 0.253 0.000 1.102 19 I CA 1.394 62.794 61.300 0.166 0.000 1.385 19 I CB -0.944 37.160 38.000 0.174 0.000 1.064 19 I HN 0.285 nan 8.210 nan 0.000 0.414 20 K N 0.555 121.086 120.400 0.219 0.000 2.009 20 K HA -0.252 4.068 4.320 0.000 0.000 0.210 20 K C 2.338 179.066 176.600 0.213 0.000 1.049 20 K CA 1.671 58.083 56.287 0.207 0.000 0.929 20 K CB -0.384 32.203 32.500 0.144 0.000 0.714 20 K HN 0.105 nan 8.250 nan 0.000 0.440 21 F N 1.317 121.310 119.950 0.072 0.000 2.161 21 F HA -0.223 4.304 4.527 0.001 0.000 0.300 21 F C 1.853 177.670 175.800 0.029 0.000 1.089 21 F CA 1.009 59.036 58.000 0.045 0.000 1.282 21 F CB -0.227 38.787 39.000 0.023 0.000 1.010 21 F HN 0.083 nan 8.300 nan 0.000 0.485 22 L N -0.183 121.128 121.223 0.147 0.000 1.989 22 L HA -0.258 4.082 4.340 0.000 0.000 0.211 22 L C 2.031 178.802 176.870 -0.166 0.000 1.071 22 L CA 2.037 56.858 54.840 -0.031 0.000 0.749 22 L CB -1.483 40.532 42.059 -0.075 0.000 0.890 22 L HN 0.212 nan 8.230 nan 0.000 0.431 23 Y N -0.044 120.206 120.300 -0.084 0.000 2.224 23 Y HA -0.223 4.327 4.550 -0.000 0.000 0.289 23 Y C 2.652 178.481 175.900 -0.117 0.000 1.146 23 Y CA 1.745 59.782 58.100 -0.104 0.000 1.182 23 Y CB -0.329 38.102 38.460 -0.047 0.000 0.983 23 Y HN 0.393 nan 8.280 nan 0.000 0.524 24 Q N -0.857 118.939 119.800 -0.007 0.000 2.435 24 Q HA -0.099 4.241 4.340 0.000 0.000 0.207 24 Q C 2.178 178.053 176.000 -0.209 0.000 0.956 24 Q CA 1.045 56.790 55.803 -0.097 0.000 0.917 24 Q CB -0.103 28.549 28.738 -0.143 0.000 0.997 24 Q HN 0.451 nan 8.270 nan 0.000 0.497 25 S N 0.047 115.575 115.700 -0.288 0.000 2.561 25 S HA -0.048 4.422 4.470 0.000 0.000 0.225 25 S C 0.812 175.324 174.600 -0.146 0.000 0.977 25 S CA 0.424 58.457 58.200 -0.279 0.000 0.926 25 S CB 0.106 63.139 63.200 -0.279 0.000 0.769 25 S HN 0.157 nan 8.310 nan 0.000 0.533 26 N N 2.773 121.411 118.700 -0.103 0.000 2.818 26 N HA 0.405 5.145 4.740 0.000 0.000 0.301 26 N C -2.990 172.657 175.510 0.227 0.000 1.821 26 N CA -2.127 50.892 53.050 -0.052 0.000 0.930 26 N CB 0.989 39.297 38.487 -0.297 0.000 1.263 26 N HN 0.261 nan 8.380 nan 0.000 0.487 27 P HA 0.265 nan 4.420 nan 0.000 0.271 27 P C -2.649 174.838 177.300 0.313 0.000 1.218 27 P CA -0.994 62.244 63.100 0.231 0.000 0.780 27 P CB 0.192 31.947 31.700 0.092 0.000 0.901 28 P HA 0.153 nan 4.420 nan 0.000 0.268 28 P C -2.231 174.970 177.300 -0.166 0.000 1.208 28 P CA -0.555 62.340 63.100 -0.342 0.000 0.777 28 P CB -1.185 30.294 31.700 -0.369 0.000 0.875 29 P HA 0.167 nan 4.420 nan 0.000 0.277 29 P C -0.051 177.199 177.300 -0.083 0.000 1.240 29 P CA -0.204 62.853 63.100 -0.070 0.000 0.798 29 P CB 0.034 31.705 31.700 -0.049 0.000 0.979 30 N N 2.081 120.756 118.700 -0.042 0.000 2.411 30 N HA 0.065 4.805 4.740 0.000 0.000 0.261 30 N C -1.620 173.861 175.510 -0.048 0.000 1.248 30 N CA -0.739 52.286 53.050 -0.040 0.000 0.885 30 N CB -1.200 37.274 38.487 -0.021 0.000 1.062 30 N HN 0.384 nan 8.380 nan 0.000 0.471 31 P HA -0.009 nan 4.420 nan 0.000 0.227 31 P C -0.183 177.094 177.300 -0.039 0.000 1.161 31 P CA 0.670 63.735 63.100 -0.058 0.000 0.788 31 P CB 0.121 31.783 31.700 -0.064 0.000 0.822 32 E N 0.366 120.548 120.200 -0.030 0.000 2.301 32 E HA 0.523 4.873 4.350 0.000 0.000 0.275 32 E C 0.411 177.001 176.600 -0.016 0.000 1.030 32 E CA -0.697 55.691 56.400 -0.021 0.000 0.852 32 E CB 0.888 30.577 29.700 -0.018 0.000 1.060 32 E HN 0.074 nan 8.360 nan 0.000 0.401 33 G N 1.681 110.473 108.800 -0.013 0.000 2.350 33 G HA2 0.016 3.976 3.960 0.000 0.000 0.276 33 G HA3 0.016 3.976 3.960 0.000 0.000 0.276 33 G C -0.757 174.139 174.900 -0.008 0.000 1.313 33 G CA -0.710 44.385 45.100 -0.009 0.000 0.903 33 G HN 0.488 nan 8.290 nan 0.000 0.490 34 T N 0.589 115.140 114.554 -0.005 0.000 2.940 34 T HA 0.198 4.548 4.350 0.000 0.000 0.309 34 T C 1.735 176.432 174.700 -0.004 0.000 1.056 34 T CA 0.557 62.655 62.100 -0.003 0.000 1.137 34 T CB 1.341 70.209 68.868 -0.001 0.000 0.976 34 T HN 0.697 nan 8.240 nan 0.000 0.547 35 R N 1.759 122.256 120.500 -0.004 0.000 2.120 35 R HA -0.147 4.194 4.340 0.000 0.000 0.234 35 R C 2.772 179.072 176.300 -0.002 0.000 1.123 35 R CA 1.868 57.965 56.100 -0.005 0.000 0.975 35 R CB -0.412 29.885 30.300 -0.004 0.000 0.866 35 R HN 0.792 nan 8.270 nan 0.000 0.446 36 Q N -0.262 119.538 119.800 0.001 0.000 2.212 36 Q HA 0.128 4.468 4.340 0.000 0.000 0.199 36 Q C 2.037 178.041 176.000 0.006 0.000 0.950 36 Q CA 1.069 56.875 55.803 0.004 0.000 0.863 36 Q CB -0.453 28.288 28.738 0.004 0.000 0.944 36 Q HN 0.598 nan 8.270 nan 0.000 0.465 37 A N 1.426 124.249 122.820 0.004 0.000 1.902 37 A HA -0.189 4.131 4.320 0.000 0.000 0.217 37 A C 2.360 179.948 177.584 0.006 0.000 1.181 37 A CA 1.529 53.569 52.037 0.005 0.000 0.623 37 A CB -0.343 18.659 19.000 0.003 0.000 0.818 37 A HN 0.625 nan 8.150 nan 0.000 0.443 38 R N -1.024 119.476 120.500 -0.000 0.000 2.092 38 R HA -0.099 4.242 4.340 0.000 0.000 0.231 38 R C 2.682 178.983 176.300 0.002 0.000 1.119 38 R CA 1.478 57.575 56.100 -0.006 0.000 0.970 38 R CB -0.462 29.828 30.300 -0.016 0.000 0.864 38 R HN 0.534 nan 8.270 nan 0.000 0.440 39 R N 1.594 122.097 120.500 0.006 0.000 2.096 39 R HA -0.118 4.222 4.340 0.000 0.000 0.235 39 R C 1.749 178.065 176.300 0.027 0.000 1.127 39 R CA 1.818 57.927 56.100 0.015 0.000 0.968 39 R CB -1.410 28.897 30.300 0.013 0.000 0.861 39 R HN 0.270 nan 8.270 nan 0.000 0.440 40 N N 0.165 118.879 118.700 0.025 0.000 2.080 40 N HA -0.098 4.642 4.740 0.000 0.000 0.189 40 N C 1.987 177.525 175.510 0.047 0.000 1.036 40 N CA 1.556 54.625 53.050 0.032 0.000 0.846 40 N CB -0.361 38.140 38.487 0.023 0.000 1.015 40 N HN 0.509 nan 8.380 nan 0.000 0.423 41 R N 0.728 121.254 120.500 0.043 0.000 2.083 41 R HA -0.051 4.289 4.340 0.000 0.000 0.237 41 R C 2.289 178.653 176.300 0.107 0.000 1.137 41 R CA 1.144 57.283 56.100 0.064 0.000 0.951 41 R CB -0.206 30.117 30.300 0.039 0.000 0.851 41 R HN 0.236 nan 8.270 nan 0.000 0.434 42 R N 0.603 121.147 120.500 0.075 0.000 2.096 42 R HA -0.179 4.161 4.340 0.000 0.000 0.235 42 R C 2.599 179.009 176.300 0.182 0.000 1.127 42 R CA 1.868 58.028 56.100 0.100 0.000 0.968 42 R CB -0.137 30.178 30.300 0.024 0.000 0.861 42 R HN 0.147 nan 8.270 nan 0.000 0.440 43 R N 1.163 121.735 120.500 0.120 0.000 2.062 43 R HA -0.070 4.271 4.340 0.000 0.000 0.231 43 R C 2.264 178.630 176.300 0.110 0.000 1.136 43 R CA 1.704 57.868 56.100 0.106 0.000 0.948 43 R CB -1.188 29.150 30.300 0.064 0.000 0.845 43 R HN 0.399 nan 8.270 nan 0.000 0.430 44 R N -1.497 119.063 120.500 0.101 0.000 2.083 44 R HA -0.182 4.158 4.340 0.000 0.000 0.237 44 R C 2.264 178.620 176.300 0.093 0.000 1.137 44 R CA 1.755 57.901 56.100 0.076 0.000 0.951 44 R CB -0.509 29.832 30.300 0.068 0.000 0.851 44 R HN 0.738 nan 8.270 nan 0.000 0.434 45 W N 1.852 123.146 121.300 -0.010 0.000 2.333 45 W HA -0.187 4.473 4.660 -0.000 0.000 0.316 45 W C 2.216 178.729 176.519 -0.010 0.000 1.215 45 W CA 1.411 58.748 57.345 -0.014 0.000 1.278 45 W CB -0.111 29.343 29.460 -0.009 0.000 1.154 45 W HN -0.090 nan 8.180 nan 0.000 0.486 46 R N -0.131 120.567 120.500 0.330 0.000 2.112 46 R HA -0.257 4.083 4.340 0.000 0.000 0.242 46 R C 2.427 178.663 176.300 -0.106 0.000 1.137 46 R CA 2.709 58.892 56.100 0.138 0.000 0.944 46 R CB -1.302 29.117 30.300 0.199 0.000 0.857 46 R HN 0.447 nan 8.270 nan 0.000 0.435 47 E N 1.599 121.764 120.200 -0.058 0.000 2.058 47 E HA -0.234 4.117 4.350 0.000 0.000 0.194 47 E C 1.960 178.459 176.600 -0.168 0.000 0.997 47 E CA 1.676 58.027 56.400 -0.082 0.000 0.801 47 E CB -0.558 29.118 29.700 -0.041 0.000 0.746 47 E HN 0.490 nan 8.360 nan 0.000 0.450 48 R N -0.781 119.573 120.500 -0.243 0.000 2.081 48 R HA -0.136 4.205 4.340 0.000 0.000 0.235 48 R C 2.739 178.777 176.300 -0.437 0.000 1.131 48 R CA 1.608 57.521 56.100 -0.312 0.000 0.960 48 R CB -0.198 29.900 30.300 -0.338 0.000 0.856 48 R HN 0.437 nan 8.270 nan 0.000 0.436 49 Q N 0.961 120.375 119.800 -0.642 0.000 2.124 49 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 49 Q C 2.028 177.753 176.000 -0.457 0.000 0.977 49 Q CA 1.686 57.053 55.803 -0.726 0.000 0.850 49 Q CB -0.092 28.047 28.738 -0.999 0.000 0.901 49 Q HN 0.170 nan 8.270 nan 0.000 0.429 50 R N -0.451 119.908 120.500 -0.234 0.000 2.073 50 R HA -0.168 4.172 4.340 0.000 0.000 0.234 50 R C 2.267 178.509 176.300 -0.097 0.000 1.134 50 R CA 1.877 57.939 56.100 -0.065 0.000 0.952 50 R CB -0.159 30.122 30.300 -0.033 0.000 0.850 50 R HN 0.374 nan 8.270 nan 0.000 0.433 51 Q N 0.085 119.797 119.800 -0.148 0.000 2.112 51 Q HA -0.214 4.126 4.340 0.000 0.000 0.206 51 Q C 2.220 178.112 176.000 -0.180 0.000 0.987 51 Q CA 2.103 57.824 55.803 -0.136 0.000 0.858 51 Q CB -0.184 28.468 28.738 -0.143 0.000 0.905 51 Q HN 0.473 nan 8.270 nan 0.000 0.420 52 I N -0.089 120.297 120.570 -0.306 0.000 2.179 52 I HA -0.292 3.878 4.170 0.000 0.000 0.242 52 I C 2.247 178.138 176.117 -0.377 0.000 1.088 52 I CA 1.034 62.072 61.300 -0.437 0.000 1.357 52 I CB -0.428 37.169 38.000 -0.672 0.000 1.051 52 I HN 0.293 nan 8.210 nan 0.000 0.409 53 H N -0.202 118.752 119.070 -0.193 0.000 2.352 53 H HA -0.157 4.399 4.556 0.000 0.000 0.299 53 H C 2.575 177.878 175.328 -0.041 0.000 1.097 53 H CA 1.753 57.770 56.048 -0.052 0.000 1.311 53 H CB -0.501 29.267 29.762 0.009 0.000 1.377 53 H HN 0.248 nan 8.280 nan 0.000 0.504 54 S N 0.185 115.924 115.700 0.065 0.000 2.359 54 S HA -0.116 4.354 4.470 0.000 0.000 0.223 54 S C 2.249 176.851 174.600 0.004 0.000 1.039 54 S CA 1.054 59.270 58.200 0.026 0.000 1.042 54 S CB -0.220 62.978 63.200 -0.003 0.000 0.915 54 S HN 0.186 nan 8.310 nan 0.000 0.439 55 I N 1.454 122.003 120.570 -0.034 0.000 2.179 55 I HA -0.117 4.053 4.170 0.000 0.000 0.242 55 I C 2.548 178.657 176.117 -0.014 0.000 1.088 55 I CA 1.360 62.638 61.300 -0.038 0.000 1.357 55 I CB -1.627 36.327 38.000 -0.076 0.000 1.051 55 I HN 0.327 nan 8.210 nan 0.000 0.409 56 S N 0.559 116.251 115.700 -0.012 0.000 2.359 56 S HA -0.180 4.290 4.470 0.000 0.000 0.224 56 S C 2.055 176.698 174.600 0.073 0.000 1.035 56 S CA 1.570 59.800 58.200 0.050 0.000 1.018 56 S CB -0.279 63.001 63.200 0.133 0.000 0.876 56 S HN 0.454 nan 8.310 nan 0.000 0.448 57 E N 0.861 121.106 120.200 0.074 0.000 2.023 57 E HA -0.175 4.175 4.350 0.000 0.000 0.196 57 E C 2.180 178.801 176.600 0.036 0.000 1.003 57 E CA 1.279 57.714 56.400 0.057 0.000 0.809 57 E CB -0.470 29.259 29.700 0.049 0.000 0.755 57 E HN 0.572 nan 8.360 nan 0.000 0.449 58 R N -0.131 120.384 120.500 0.025 0.000 2.105 58 R HA -0.098 4.242 4.340 0.000 0.000 0.239 58 R C 2.466 178.775 176.300 0.016 0.000 1.135 58 R CA 1.785 57.894 56.100 0.015 0.000 0.967 58 R CB -0.366 29.938 30.300 0.007 0.000 0.861 58 R HN 0.353 nan 8.270 nan 0.000 0.442 59 I N -0.470 120.112 120.570 0.019 0.000 2.406 59 I HA -0.148 4.022 4.170 0.000 0.000 0.249 59 I C 2.575 178.708 176.117 0.027 0.000 1.122 59 I CA 0.567 61.879 61.300 0.020 0.000 1.431 59 I CB -0.243 37.769 38.000 0.020 0.000 1.087 59 I HN 0.175 nan 8.210 nan 0.000 0.424 60 R N 0.749 121.271 120.500 0.037 0.000 2.170 60 R HA -0.162 4.178 4.340 0.000 0.000 0.242 60 R C 2.303 178.620 176.300 0.028 0.000 1.145 60 R CA 1.753 57.877 56.100 0.040 0.000 0.984 60 R CB -0.008 30.323 30.300 0.051 0.000 0.869 60 R HN 0.293 nan 8.270 nan 0.000 0.455 61 S N -0.709 115.005 115.700 0.023 0.000 2.387 61 S HA -0.085 4.385 4.470 0.000 0.000 0.226 61 S C 2.252 176.860 174.600 0.014 0.000 1.026 61 S CA 1.586 59.795 58.200 0.017 0.000 0.972 61 S CB -0.485 62.724 63.200 0.014 0.000 0.814 61 S HN 0.661 nan 8.310 nan 0.000 0.477 62 T N -0.439 114.123 114.554 0.014 0.000 2.929 62 T HA -0.055 4.295 4.350 0.000 0.000 0.271 62 T C 1.469 176.176 174.700 0.012 0.000 1.085 62 T CA 1.683 63.790 62.100 0.011 0.000 1.125 62 T CB -0.819 68.055 68.868 0.010 0.000 0.874 62 T HN 0.670 nan 8.240 nan 0.000 0.494 63 Y N -0.338 119.971 120.300 0.015 0.000 2.531 63 Y HA 0.675 5.225 4.550 0.000 0.000 0.249 63 Y C 1.221 177.130 175.900 0.015 0.000 1.168 63 Y CA -0.070 58.039 58.100 0.015 0.000 1.226 63 Y CB -0.521 37.950 38.460 0.019 0.000 1.177 63 Y HN 0.444 nan 8.280 nan 0.000 0.527 64 L N 0.000 121.232 121.223 0.015 0.000 2.949 64 L HA 0.000 4.340 4.340 0.000 0.000 0.249 64 L CA 0.000 54.848 54.840 0.013 0.000 0.813 64 L CB 0.000 42.068 42.059 0.014 0.000 0.961 64 L HN 0.000 nan 8.230 nan 0.000 0.502